A Novel Series of Acylhydrazones as Potential Anti-Candida Agents: Design, Synthesis, Biological Evaluation and In Silico Studies
Copyright policy )A Novel Series of Acylhydrazones as Potential Anti-Candida Agents: Design, Synthesis, Biological Evaluation and In Silico Studies
In the context of an increased incidence of invasive fungal diseases, there is an imperative need of new antifungal drugs with improved activity and safety profiles. A novel series of acylhydrazones bearing a 1,4-phenylene-bisthiazole scaffold was designed based on an analysis of structures known to possess anti-Candida activity obtained from a literature review. Nine final compounds were synthesized and evaluated in vitro for their inhibitory activity against various strains of Candida spp. The anti-Candida activity assay revealed that some of the new compounds are as active as fluconazole against most of the tested strains. A molecular docking study was conducted in order to evaluate the binding poses towards lanosterol 14α-demethylase. An in silico ADMET analysis showed that the compounds possess drug-like properties and represent a biologically active framework that should be further optimized as potential hits.
- University of Agricultural Sciences, Dharwad India
- Iuliu Hațieganu University of Medicine and Pharmacy Romania
- National Institute for Research and Development of Isotopic and Molecular Technologies Romania
- University of Agricultural Sciences and Veterinary Medicine of Cluj-Napoca Romania
- "Lucian Blaga" University of Sibiu Romania
Antifungal Agents, Molecular Structure, molecular modeling, anti-<i>Candida</i>, Hydrazones, Organic chemistry, anti-Candida, Microbial Sensitivity Tests, Article, Molecular Docking Simulation, lanosterol 14α-demethylase, Structure-Activity Relationship, ADMET, QD241-441, Drug Design, thiazole, Fluconazole, acylhydrazone, Candida, Protein Binding
Antifungal Agents, Molecular Structure, molecular modeling, anti-<i>Candida</i>, Hydrazones, Organic chemistry, anti-Candida, Microbial Sensitivity Tests, Article, Molecular Docking Simulation, lanosterol 14α-demethylase, Structure-Activity Relationship, ADMET, QD241-441, Drug Design, thiazole, Fluconazole, acylhydrazone, Candida, Protein Binding
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